2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide

C14H10BrF3N2O2 — CID 90317223

IUPAC2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10BrF3N2O2/c15-8-1-6-11(12(19)7-8)13(21)20-9-2-4-10(5-3-9)22-14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyLBIYEHVDKWYYDG-UHFFFAOYSA-N
MW375.14 g/mol
LogP4.18
Rot. Bonds3

About 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide

2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 90317223) has the molecular formula C14H10BrF3N2O2 and a molecular weight of 375.14 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID90317223
Molecular FormulaC14H10BrF3N2O2
Molecular Weight375.14 g/mol
Exact Mass373.99
IUPAC Name2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10BrF3N2O2/c15-8-1-6-11(12(19)7-8)13(21)20-9-2-4-10(5-3-9)22-14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyLBIYEHVDKWYYDG-UHFFFAOYSA-N
XLogP4.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 90317246
6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide
CID 53491067
2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
CID 79713794
2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 2469337
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 90317223) is 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide is Nc1cc(Br)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is LBIYEHVDKWYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O2/c15-8-1-6-11(12(19)7-8)13(21)20-9-2-4-10(5-3-9)22-14(16,17)18/h1-7H,19H2,(H,20,21).
What are the key properties of 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 375.14 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 90317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).